4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine

C14H13ClN2O2 — CID 43557902

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H13ClN2O2/c1-2-10-8-13(15)17-14(16-10)9-3-4-11-12(7-9)19-6-5-18-11/h3-4,7-8H,2,5-6H2,1H3
InChIKeyVZOWGARHQKVMFL-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.13
Rot. Bonds2

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine (PubChem CID 43557902) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
PubChem CID43557902
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H13ClN2O2/c1-2-10-8-13(15)17-14(16-10)9-3-4-11-12(7-9)19-6-5-18-11/h3-4,7-8H,2,5-6H2,1H3
InChIKeyVZOWGARHQKVMFL-UHFFFAOYSA-N
XLogP3.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine (CID 43557902) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine is CCc1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine?
The InChIKey is VZOWGARHQKVMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-2-10-8-13(15)17-14(16-10)9-3-4-11-12(7-9)19-6-5-18-11/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine has a molecular weight of 276.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine is sourced from PubChem (CID 43557902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).